N,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

C21H26N4O3 — CID 42867509

IUPACN,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)C)c(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)n1
InChIInChI=1S/C21H26N4O3/c1-15-8-9-18(21(26)23(2)3)20(22-15)16-10-12-24(13-11-16)14-17-6-4-5-7-19(17)25(27)28/h4-9,16H,10-14H2,1-3H3
InChIKeyXYMFVEPEXLCKCX-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.38
Rot. Bonds5

About N,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

N,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 42867509) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID42867509
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)C)c(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)n1
InChIInChI=1S/C21H26N4O3/c1-15-8-9-18(21(26)23(2)3)20(22-15)16-10-12-24(13-11-16)14-17-6-4-5-7-19(17)25(27)28/h4-9,16H,10-14H2,1-3H3
InChIKeyXYMFVEPEXLCKCX-UHFFFAOYSA-N
XLogP3.38
TPSA79.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide
CID 42868312
N-benzyl-N-[2-(dimethylamino)ethyl]-6-methyl-2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 42867505
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
1-[(2-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 3450780
1-[(2-nitrophenyl)methyl]piperidin-4-amine
CID 29009713
(4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
CID 42867590
6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 46044811
N,N-dimethyl-2-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]acetamide
CID 37107425
1-[(2-nitrophenyl)methyl]piperidin-4-amine;hydrochloride
CID 119908068
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46069191
N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46044896
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol
CID 56790457

Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 42867509) is N,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)N(C)C)c(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)n1.
What is the InChIKey of N,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is XYMFVEPEXLCKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-8-9-18(21(26)23(2)3)20(22-15)16-10-12-24(13-11-16)14-17-6-4-5-7-19(17)25(27)28/h4-9,16H,10-14H2,1-3H3.
What are the key properties of N,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
N,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 42867509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).